tert-Butyl thiomorpholine-4-carboxylate

Name: tert-Butyl thiomorpholine-4-carboxylate
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CAS No. 220655-09-4
Cat. No. CS-0129064
Purity≥95%
MDL No.MFCD14635788

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tert-Butyl thiomorpholine-4-carboxylate|CS-0129064

Structure of 220655-09-4

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General Information

CAS No. 220655-09-4
Cat. No. CS-0129064
Purity ≥95%
MDL No. MFCD14635788
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₇NO₂S
Molecular Weight 203.30
Synonym(s) N-Boc-thiomorpholine
SMILES O=C(N1CCSCC1)OC(C)(C)C

Description

tert-Butyl thiomorpholine-4-carboxylate features a sterically hindered thiomorpholine core with a bench-stable tert-butyl ester, enabling straightforward deprotection and integration into complex scaffolds. This robust building block facilitates the synthesis of bioactive molecules through efficient coupling and functionalization protocols.

Application

tert-Butyl thiomorpholine-4-carboxylate serves as a stable, bench-friendly building block for the synthesis of thiomorpholine-containing scaffolds. Its carboxylate group enables straightforward derivatization via standard coupling protocols, while the thiomorpholine core provides a rigid, sulfur-containing heterocycle with proven utility in medicinal chemistry. The tert-butyl protecting group offers excellent stability and facile removal under mild acidic conditions, facilitating downstream functionalization.

Synthesis

Route1
- In-stock
  
  123-90-0
- In-stock
  
  24424-99-5
- ~99%
- In-stock
  
  220655-09-4
References
- Zeneca Limited Patent: US6486154 B1, 2002 ; US 6486154 B1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 29.54
LogP 1.9703
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Thiomorpholine compounds

Key Words

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tert-Butyl thiomorpholine-4-carboxylate

CAS No. 220655-09-4

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